2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine

C22H22N6O — CID 53333602

IUPAC2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESCOc1cccc(-c2cc3c(N4CCN(c5ccccn5)CC4)nccn3n2)c1
InChIInChI=1S/C22H22N6O/c1-29-18-6-4-5-17(15-18)19-16-20-22(24-9-10-28(20)25-19)27-13-11-26(12-14-27)21-7-2-3-8-23-21/h2-10,15-16H,11-14H2,1H3
InChIKeyWFYFTAVLPYPSFX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.13
Rot. Bonds4

About 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine

2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333602) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
PubChem CID53333602
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESCOc1cccc(-c2cc3c(N4CCN(c5ccccn5)CC4)nccn3n2)c1
InChIInChI=1S/C22H22N6O/c1-29-18-6-4-5-17(15-18)19-16-20-22(24-9-10-28(20)25-19)27-13-11-26(12-14-27)21-7-2-3-8-23-21/h2-10,15-16H,11-14H2,1H3
InChIKeyWFYFTAVLPYPSFX-UHFFFAOYSA-N
XLogP3.13
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (CID 53333602) is 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is COc1cccc(-c2cc3c(N4CCN(c5ccccn5)CC4)nccn3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is WFYFTAVLPYPSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-29-18-6-4-5-17(15-18)19-16-20-22(24-9-10-28(20)25-19)27-13-11-26(12-14-27)21-7-2-3-8-23-21/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 386.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).